4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole

C14H11Cl2N3 — CID 67670341

IUPAC4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole
SMILESCn1nnc2c(Cc3ccc(Cl)cc3Cl)cccc21
InChIInChI=1S/C14H11Cl2N3/c1-19-13-4-2-3-10(14(13)17-18-19)7-9-5-6-11(15)8-12(9)16/h2-6,8H,7H2,1H3
InChIKeyPAIJAMOJOAWJPB-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.87
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole

4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole (PubChem CID 67670341) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole
PubChem CID67670341
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole
SMILESCn1nnc2c(Cc3ccc(Cl)cc3Cl)cccc21
InChIInChI=1S/C14H11Cl2N3/c1-19-13-4-2-3-10(14(13)17-18-19)7-9-5-6-11(15)8-12(9)16/h2-6,8H,7H2,1H3
InChIKeyPAIJAMOJOAWJPB-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4-dichlorophenyl)methyl]-7-(3,6-dihydro-2H-pyridin-1-yl)-3-methyltriazolo[4,5-d]pyrimidine
CID 23605662
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
1-methyl-4-pyrrolidin-1-ylbenzotriazole
CID 168513099
2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene
CID 155153874
1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 14252257
N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62735962
(E)-3-[4-[(2,4-dichlorophenyl)methyl]-1-(trifluoromethyl)indazol-3-yl]prop-2-enoic acid
CID 142719645
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole (CID 67670341) is 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole is Cn1nnc2c(Cc3ccc(Cl)cc3Cl)cccc21.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole?
The InChIKey is PAIJAMOJOAWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-19-13-4-2-3-10(14(13)17-18-19)7-9-5-6-11(15)8-12(9)16/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole?
4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole has a molecular weight of 292.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole is sourced from PubChem (CID 67670341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).